The forces which were given from outside are written in
Cartesian coordinates. This file has to be prepared to
calculate phonon properties. The first line gives the number of
calculations of displaced structures. The second line gives the
displacements. The first column is the atom number in supercell. The
later columns are the vector of displacement in the unit of reduced
coordinates. The later lines give the forces. The order is
important. The calculations of displaced structures of same displaced
atom must be written in succession.
example
4
1 0.000845 0.000000 0.000000
-0.09613714 0.00000000 -0.01436430
0.01597874 0.00000000 -0.01527745
0.01583816 0.00000000 -0.01084888
...
togo
2009-02-12